| SpectraBase Compound ID | KxeGD1wW1Um |
|---|---|
| InChI | InChI=1S/C7H13Cl/c1-5-3-4-6(2)7(5)8/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | PCFWFGQPBMMIHQ-WDSKDSINSA-N |
| Mol Weight | 132.63 g/mol |
| Molecular Formula | C7H13Cl |
| Exact Mass | 132.070578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GoNmRMwEl7V |
|---|---|
| Name | (2S,5S)-1-Chloro-2,5-dimethylcyclopentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.070578119 u |
| Formula | C7H13Cl |
| InChI | InChI=1S/C7H13Cl/c1-5-3-4-6(2)7(5)8/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | PCFWFGQPBMMIHQ-WDSKDSINSA-N |
| SMILES | C1([C@](CC[C@@]1(C)[H])(C)[H])Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896638 |